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

Systemtic Name: N4-(3-ethynylphenyl)-N6-(oxan-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-ethynylphenyl)-N6-tetrahydropyran-4-yl-pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-ethynylphenyl)-N6-(4-oxanyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-ethynylphenyl)-6-N-(oxan-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]-tetrahydropyran-4-yl-amine Formula: C19H18N6O MolecularWeight: 346.38582

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NC4CCOCC4

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NC4CCOCC4

InChI

InChI=1S/C19H18N6O/c1-2-13-4-3-5-15(10-13)23-18-17-16(21-12-22-18)11-20-19(25-17)24-14-6-8-26-9-7-14/h1,3-5,10-12,14H,6-9H2,(H,20,24,25)(H,21,22,23)