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

Systemtic Name: N4-(3-ethynylphenyl)-N6-(oxolan-2-ylmethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-ethynylphenyl)-N6-(tetrahydrofuran-2-ylmethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-ethynylphenyl)-N6-(2-oxolanylmethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-ethynylphenyl)-6-N-(oxolan-2-ylmethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]-(tetrahydrofurfuryl)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)NCC4CCCO4

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NCC4CCCO4

InChI

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