(Z)-2-(hydroxymethyl)-1-phenyl-4-(7H-purin-6-ylamino)but-2-en-1-one

Systemtic Name: (Z)-2-(hydroxymethyl)-1-phenyl-4-(7H-purin-6-ylamino)but-2-en-1-one Openeye Name: (Z)-2-(hydroxymethyl)-1-phenyl-4-(7H-purin-6-ylamino)but-2-en-1-one CAS Name: (Z)-2-(hydroxymethyl)-1-phenyl-4-(7H-purin-6-ylamino)-2-buten-1-one IUPAC Name: (Z)-2-(hydroxymethyl)-1-phenyl-4-(7H-purin-6-ylamino)but-2-en-1-one Traditional Name: (Z)-2-methylol-1-phenyl-4-(7H-purin-6-ylamino)but-2-en-1-one Formula: C16H15N5O2 MolecularWeight: 309.3226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(=CCNC2=NC=NC3=C2NC=N3)CO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C(=C\CNC2=NC=NC3=C2NC=N3)/CO

InChI

InChI=1S/C16H15N5O2/c22-8-12(14(23)11-4-2-1-3-5-11)6-7-17-15-13-16(19-9-18-13)21-10-20-15/h1-6,9-10,22H,7-8H2,(H2,17,18,19,20,21)/b12-6-