5-phenylsulfanyl-9H-pyrimido[4,5-b]indole-2,4-diamine

Systemtic Name: 5-phenylsulfanyl-9H-pyrimido[4,5-b]indole-2,4-diamine Openeye Name: 5-phenylsulfanyl-9H-pyrimido[4,5-b]indole-2,4-diamine CAS Name: 5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamine IUPAC Name: 5-phenylsulfanyl-9H-pyrimido[4,5-b]indole-2,4-diamine Traditional Name: [2-amino-5-(phenylthio)-9H-pyrimid[4,5-b]indol-4-yl]amine Formula: C16H13N5S MolecularWeight: 307.37292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC3=C2C4=C(N3)N=C(N=C4N)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC3=C2C4=C(N3)N=C(N=C4N)N

InChI

InChI=1S/C16H13N5S/c17-14-13-12-10(19-15(13)21-16(18)20-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H5,17,18,19,20,21)