N-(3-chloranyl-4-methyl-phenyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine CAS Name: N-(3-chloro-4-methylphenyl)-2-(4-phenyl-1-piperazinyl)-4-pteridinamine IUPAC Name: N-(3-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine Traditional Name: (3-chloro-4-methyl-phenyl)-[2-(4-phenylpiperazino)pteridin-4-yl]amine Formula: C23H22ClN7 MolecularWeight: 431.92068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC3=NC=CN=C32)N4CCN(CC4)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC3=NC=CN=C32)N4CCN(CC4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C23H22ClN7/c1-16-7-8-17(15-19(16)24)27-22-20-21(26-10-9-25-20)28-23(29-22)31-13-11-30(12-14-31)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,26,27,28,29)