N4-(3-ethynylphenyl)-6-(4-methyl-1,4-diazepan-1-yl)pyrimidine-2,4-diamine

Systemtic Name: N4-(3-ethynylphenyl)-6-(4-methyl-1,4-diazepan-1-yl)pyrimidine-2,4-diamine Openeye Name: N4-(3-ethynylphenyl)-6-(4-methyl-1,4-diazepan-1-yl)pyrimidine-2,4-diamine CAS Name: N4-(3-ethynylphenyl)-6-(4-methyl-1,4-diazepan-1-yl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(3-ethynylphenyl)-6-(4-methyl-1,4-diazepan-1-yl)pyrimidine-2,4-diamine Traditional Name: [2-amino-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-(3-ethynylphenyl)amine Formula: C18H22N6 MolecularWeight: 322.40748

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=CC(=NC(=N2)N)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CN1CCCN(CC1)C2=CC(=NC(=N2)N)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C18H22N6/c1-3-14-6-4-7-15(12-14)20-16-13-17(22-18(19)21-16)24-9-5-8-23(2)10-11-24/h1,4,6-7,12-13H,5,8-11H2,2H3,(H3,19,20,21,22)