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

Systemtic Name: 2-azanyl-9-[(1R,4S)-4-(hydroxymethyl)-2-methyl-cyclopent-2-en-1-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(1R,4S)-4-(hydroxymethyl)-2-methyl-cyclopent-2-en-1-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(1R,4S)-4-(hydroxymethyl)-2-methyl-1-cyclopent-2-enyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1R,4S)-4-(hydroxymethyl)-2-methylcyclopent-2-en-1-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(1R,4S)-2-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(CC1N2C=NC3=C2NC(=NC3=O)N)CO

Isomeric SMILES

CC1=C[C@H](C[C@H]1N2C=NC3=C2NC(=NC3=O)N)CO

InChI

InChI=1S/C12H15N5O2/c1-6-2-7(4-18)3-8(6)17-5-14-9-10(17)15-12(13)16-11(9)19/h2,5,7-8,18H,3-4H2,1H3,(H3,13,15,16,19)/t7-,8-/m1/s1