N-(3-chloranyl-4-methoxy-phenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine Openeye Name: N-(3-chloro-4-methoxy-phenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine CAS Name: N-(3-chloro-4-methoxyphenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine IUPAC Name: N-(3-chloro-4-methoxyphenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine Traditional Name: (3-chloro-4-methoxy-phenyl)-(6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl)amine Formula: C16H16ClN5O MolecularWeight: 329.78414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC=NC3=C2N=C4N3CCCC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC=NC3=C2N=C4N3CCCC4)Cl

InChI

InChI=1S/C16H16ClN5O/c1-23-12-6-5-10(8-11(12)17)20-15-14-16(19-9-18-15)22-7-3-2-4-13(22)21-14/h5-6,8-9H,2-4,7H2,1H3,(H,18,19,20)