N4-(3-ethynylphenyl)-N6-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3-ethynylphenyl)-N6-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-ethynylphenyl)-N6-(2-morpholinoethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-ethynylphenyl)-N6-[2-(4-morpholinyl)ethyl]pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-ethynylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]-(2-morpholinoethyl)amine Formula: C20H21N7O MolecularWeight: 375.42704

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NCCN4CCOCC4

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NCCN4CCOCC4

InChI

InChI=1S/C20H21N7O/c1-2-15-4-3-5-16(12-15)25-19-18-17(23-14-24-19)13-22-20(26-18)21-6-7-27-8-10-28-11-9-27/h1,3-5,12-14H,6-11H2,(H,21,22,26)(H,23,24,25)