COMPOUND: C02230
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Entry
C02230 Compound
Name
3-Methylguanine;
2-Amino-3,7-dihydro-3-methyl-6H-purin-6-one
Formula
C6H7N5O
Exact mass
165.0651
Mol weight
165.1527
Structure
Mol file
KCF file
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Other DBs
CAS:
2958-98-7
PubChem:
5294
ChEBI:
1604
46892
NIKKAJI:
J101.565F
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KCF data
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ATOM 12
1 C8y C 23.1700 -17.6400
2 C8y C 23.1700 -16.2400
3 N4y N 24.3600 -18.3400
4 N4x N 21.8400 -18.1300
5 C8y C 24.3600 -15.5400
6 N5x N 21.8400 -15.8200
7 C8y C 25.5500 -17.6400
8 C1a C 24.3600 -19.7400
9 C8x C 21.0000 -16.9400
10 N5x N 25.5500 -16.2400
11 O5x O 24.3600 -14.1400
12 N1a N 26.8100 -18.3400
BOND 13
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 2
11 7 12 1
12 6 9 2
13 7 10 2
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