4-chloranyl-9-(phenylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-b]indole

Systemtic Name: 4-chloranyl-9-(phenylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-b]indole Openeye Name: 9-benzyl-4-chloro-5,6,7,8-tetrahydropyrimido[4,5-b]indole CAS Name: 4-chloro-9-(phenylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-b]indole IUPAC Name: 9-benzyl-4-chloro-5,6,7,8-tetrahydropyrimido[4,5-b]indole Traditional Name: 9-benzyl-4-chloro-5,6,7,8-tetrahydropyrimid[4,5-b]indole Formula: C17H16ClN3 MolecularWeight: 297.78204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N2CC4=CC=CC=C4)N=CN=C3Cl

Isomeric SMILES

C1CCC2=C(C1)C3=C(N2CC4=CC=CC=C4)N=CN=C3Cl

InChI

InChI=1S/C17H16ClN3/c18-16-15-13-8-4-5-9-14(13)21(17(15)20-11-19-16)10-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2