2-azanyl-9-[(1R,4S)-4-(hydroxymethyl)-4-methyl-cyclopent-2-en-1-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(1R,4S)-4-(hydroxymethyl)-4-methyl-cyclopent-2-en-1-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(1R,4S)-4-(hydroxymethyl)-4-methyl-cyclopent-2-en-1-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(1R,4S)-4-(hydroxymethyl)-4-methyl-1-cyclopent-2-enyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1R,4S)-4-(hydroxymethyl)-4-methylcyclopent-2-en-1-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(1R,4S)-4-methyl-4-methylol-cyclopent-2-en-1-yl]-3H-purin-6-one Formula: C12H15N5O2 MolecularWeight: 261.2798

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C=C1)N2C=NC3=C2NC(=NC3=O)N)CO

Isomeric SMILES

C[C@@]1(C[C@H](C=C1)N2C=NC3=C2NC(=NC3=O)N)CO

InChI

InChI=1S/C12H15N5O2/c1-12(5-18)3-2-7(4-12)17-6-14-8-9(17)15-11(13)16-10(8)19/h2-3,6-7,18H,4-5H2,1H3,(H3,13,15,16,19)/t7-,12+/m0/s1