5-methyl-6-[(pyren-1-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine

Systemtic Name: 5-methyl-6-[(pyren-1-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine Openeye Name: 5-methyl-6-[(pyren-1-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine CAS Name: 5-methyl-6-[(1-pyrenylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 5-methyl-6-[(pyren-1-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine Traditional Name: (2,4-diamino-5-methyl-pyrido[2,3-d]pyrimidin-6-yl)methyl-pyren-1-yl-amine Formula: C25H20N6 MolecularWeight: 404.4665

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=NC2=NC=C1CNC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)N)N

Isomeric SMILES

CC1=C2C(=NC(=NC2=NC=C1CNC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)N)N

InChI

InChI=1S/C25H20N6/c1-13-17(12-29-24-20(13)23(26)30-25(27)31-24)11-28-19-10-8-16-6-5-14-3-2-4-15-7-9-18(19)22(16)21(14)15/h2-10,12,28H,11H2,1H3,(H4,26,27,29,30,31)