2-azanyl-5-[[[4-(propylamino)phenyl]amino]methyl]pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-azanyl-5-[[[4-(propylamino)phenyl]amino]methyl]pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-amino-5-[[4-(propylamino)anilino]methyl]pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 2-amino-5-[[4-(propylamino)anilino]methyl]-4-pyrrolo[2,3-d]pyrimidinone IUPAC Name: 2-amino-5-[[4-(propylamino)anilino]methyl]pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-amino-5-[[4-(propylamino)anilino]methyl]pyrrolo[2,3-d]pyrimidin-4-one Formula: C16H18N6O MolecularWeight: 310.35372

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC=C(C=C1)NCC2=C3C(=NC(=NC3=O)N)N=C2

Isomeric SMILES

CCCNC1=CC=C(C=C1)NCC2=C3C(=NC(=NC3=O)N)N=C2

InChI

InChI=1S/C16H18N6O/c1-2-7-18-11-3-5-12(6-4-11)19-8-10-9-20-14-13(10)15(23)22-16(17)21-14/h3-6,9,18-19H,2,7-8H2,1H3,(H2,17,22,23)