N4-(3-chlorophenyl)-N6-(oxolan-3-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3-chlorophenyl)-N6-(oxolan-3-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-chlorophenyl)-N6-tetrahydrofuran-3-yl-pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-chlorophenyl)-N6-(3-oxolanyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chlorophenyl)-6-N-(oxolan-3-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-chloroanilino)pyrimido[5,4-d]pyrimidin-6-yl]-tetrahydrofuran-3-yl-amine Formula: C16H15ClN6O MolecularWeight: 342.7829

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1COCC1NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C16H15ClN6O/c17-10-2-1-3-11(6-10)21-15-14-13(19-9-20-15)7-18-16(23-14)22-12-4-5-24-8-12/h1-3,6-7,9,12H,4-5,8H2,(H,18,22,23)(H,19,20,21)