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

Systemtic Name: N6-cyclopropyl-N4-(3-ethynylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N6-cyclopropyl-N4-(3-ethynylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N6-cyclopropyl-N4-(3-ethynylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-cyclopropyl-4-N-(3-ethynylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: cyclopropyl-[4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amine Formula: C17H14N6 MolecularWeight: 302.33326

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NC4CC4

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NC4CC4

InChI

InChI=1S/C17H14N6/c1-2-11-4-3-5-13(8-11)21-16-15-14(19-10-20-16)9-18-17(23-15)22-12-6-7-12/h1,3-5,8-10,12H,6-7H2,(H,18,22,23)(H,19,20,21)