N4-(3-bromophenyl)-N6-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3-bromophenyl)-N6-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-bromophenyl)-N6-(3-pyridylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-bromophenyl)-N6-(3-pyridinylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-(3-pyridylmethyl)amine Formula: C19H15BrN6 MolecularWeight: 407.2666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NC=NC3=CN=C(C=C32)NCC4=CN=CC=C4

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC=NC3=CN=C(C=C32)NCC4=CN=CC=C4

InChI

InChI=1S/C19H15BrN6/c20-14-4-1-5-15(7-14)26-19-16-8-18(23-11-17(16)24-12-25-19)22-10-13-3-2-6-21-9-13/h1-9,11-12H,10H2,(H,22,23)(H,24,25,26)