6-(azepan-1-yl)-N4-(3-methoxyphenyl)pyrimidine-4,5-diamine

Systemtic Name: 6-(azepan-1-yl)-N4-(3-methoxyphenyl)pyrimidine-4,5-diamine Openeye Name: 6-(azepan-1-yl)-N4-(3-methoxyphenyl)pyrimidine-4,5-diamine CAS Name: 6-(1-azepanyl)-N4-(3-methoxyphenyl)pyrimidine-4,5-diamine IUPAC Name: 6-(azepan-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C17H23N5O MolecularWeight: 313.39742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=NC(=C2N)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=NC(=C2N)N3CCCCCC3

InChI

InChI=1S/C17H23N5O/c1-23-14-8-6-7-13(11-14)21-16-15(18)17(20-12-19-16)22-9-4-2-3-5-10-22/h6-8,11-12H,2-5,9-10,18H2,1H3,(H,19,20,21)